UCSF

ZINC25498826

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 No

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Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.69 10.74 -46.66 0 8 -1 113 440.501 8
Mid Mid (pH 6-8) 5.24 11.85 -12.31 1 8 0 110 441.509 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )